1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid

C19H23N5O4 — CID 119206700

IUPAC1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)CC1
InChIInChI=1S/C19H23N5O4/c1-22(2)19(28)23-10-7-13(8-11-23)17(25)20-14-5-3-4-6-16(14)24-12-9-15(21-24)18(26)27/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,25)(H,26,27)
InChIKeyUUXHFNOWFOJNKN-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid

1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 119206700) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
PubChem CID119206700
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)CC1
InChIInChI=1S/C19H23N5O4/c1-22(2)19(28)23-10-7-13(8-11-23)17(25)20-14-5-3-4-6-16(14)24-12-9-15(21-24)18(26)27/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,25)(H,26,27)
InChIKeyUUXHFNOWFOJNKN-UHFFFAOYSA-N
XLogP1.90
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(cyclohexanecarbonylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206628
4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55764236
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119422188
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
4-N-(3-ethyl-1-methylpyrazol-4-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 154781611
1-[2-[(2-butoxyacetyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 119206655
1-[2-(hexanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206620
ethyl 1-[2-[(3-aminocyclopentanecarbonyl)amino]phenyl]pyrazole-3-carboxylate;hydrochloride
CID 119779889
1-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206710
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
1-[2-(2-butylsulfanylpropanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206646
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid (CID 119206700) is 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid is CN(C)C(=O)N1CCC(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)CC1.
What is the InChIKey of 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is UUXHFNOWFOJNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-22(2)19(28)23-10-7-13(8-11-23)17(25)20-14-5-3-4-6-16(14)24-12-9-15(21-24)18(26)27/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,25)(H,26,27).
What are the key properties of 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 119206700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).